3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one

C16H18FN3OS — CID 91841721

IUPAC3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one
SMILESCc1nc(CCN2CCNC(=O)C2c2ccc(F)cc2)cs1
InChIInChI=1S/C16H18FN3OS/c1-11-19-14(10-22-11)6-8-20-9-7-18-16(21)15(20)12-2-4-13(17)5-3-12/h2-5,10,15H,6-9H2,1H3,(H,18,21)
InChIKeyHWLYPRGRMNSBAW-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.31
Rot. Bonds4

About 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one

3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one (PubChem CID 91841721) has the molecular formula C16H18FN3OS and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one
PubChem CID91841721
Molecular FormulaC16H18FN3OS
Molecular Weight319.41 g/mol
Exact Mass319.12
IUPAC Name3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one
SMILESCc1nc(CCN2CCNC(=O)C2c2ccc(F)cc2)cs1
InChIInChI=1S/C16H18FN3OS/c1-11-19-14(10-22-11)6-8-20-9-7-18-16(21)15(20)12-2-4-13(17)5-3-12/h2-5,10,15H,6-9H2,1H3,(H,18,21)
InChIKeyHWLYPRGRMNSBAW-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one (CID 91841721) is 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one is Cc1nc(CCN2CCNC(=O)C2c2ccc(F)cc2)cs1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one?
The InChIKey is HWLYPRGRMNSBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-11-19-14(10-22-11)6-8-20-9-7-18-16(21)15(20)12-2-4-13(17)5-3-12/h2-5,10,15H,6-9H2,1H3,(H,18,21).
What are the key properties of 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one?
3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one has a molecular weight of 319.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 91841721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).